1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol

C13H16FN3O — CID 105373469

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1cnn(C)c1N
InChIInChI=1S/C13H16FN3O/c1-8-3-4-10(14)5-9(8)6-12(18)11-7-16-17(2)13(11)15/h3-5,7,12,18H,6,15H2,1-2H3
InChIKeyLMEWAEDANDENNK-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.73
Rot. Bonds3

About 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105373469) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105373469
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1cnn(C)c1N
InChIInChI=1S/C13H16FN3O/c1-8-3-4-10(14)5-9(8)6-12(18)11-7-16-17(2)13(11)15/h3-5,7,12,18H,6,15H2,1-2H3
InChIKeyLMEWAEDANDENNK-UHFFFAOYSA-N
XLogP1.73
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-[2-(1-methyl-1H-pyrazol-4-yl)-phenyl]-ethanol
CID 66742969
2-[5-Amino-4-(1-methylperoxyethyl)pyrazol-1-yl]-1-(4-fluorophenyl)ethanol
CID 89026774
(2-Fluorophenyl)-(1-propan-2-ylpyrazol-4-yl)methanol
CID 108385000
(3-Fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol
CID 143691446
1-[2-[(2Z)-3-(1-ethylpyrazol-4-yl)-2-(methylhydrazinylidene)propanimidoyl]-5-fluorophenyl]ethanol
CID 169680159
1-[4,5-Difluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-methylbut-3-en-1-ol
CID 172267675
5-Amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile
CID 16747853
(4-Fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 45096995
1-(1-Ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol
CID 55040907
1-(3-Fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 55040956
1-(2-Fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 55040958
2-(1-Ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 55068043

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105373469) is 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1CC(O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is LMEWAEDANDENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8-3-4-10(14)5-9(8)6-12(18)11-7-16-17(2)13(11)15/h3-5,7,12,18H,6,15H2,1-2H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 249.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105373469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).